1.0 2010-04-08 22:05:33 UTC 2019-11-26 02:58:03 UTC FDB002850 Majoroside F3 Constituent of Panax japonicus (Japanese ginseng). Majoroside F3 is found in tea. Majoroside F3 C42H72O14 801.0127 800.492207012 2-{[(3E)-5-hydroxy-2-(16-hydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[(3E)-5-hydroxy-2-(16-hydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 114019-98-6 CC(C)C(O)\C=C\C(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,16,20-37,43-52H,9,11-15,17-19H2,1-8H3/b16-10+ QBGJMXNDMOZGPR-MHWRWJLKSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids Acetals Alkyl glycosides Cyclic alcohols and derivatives Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides 12-hydroxysteroid 24-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Steroidal glycoside Triterpenoid logp 1.31 ALOGPS logs -3.84 ALOGPS solubility 1.17e-01 g/l ALOGPS logp 1.04 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[(3E)-5-hydroxy-2-(16-hydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 801.0127 ChemAxon mono_mass 800.492207012 ChemAxon smiles CC(C)C(O)\C=C\C(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C ChemAxon formula C42H72O14 ChemAxon inchi InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,16,20-37,43-52H,9,11-15,17-19H2,1-8H3/b16-10+ ChemAxon inchikey QBGJMXNDMOZGPR-MHWRWJLKSA-N ChemAxon polar_surface_area 239.22 ChemAxon refractivity 203.61 ChemAxon polarizability 88.48 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 787917 Specdb::CMs 787918 Specdb::CMs 787919 Specdb::CMs 787920 Specdb::CMs 787921 Specdb::CMs 787922 Specdb::CMs 787923 Specdb::CMs 787924 Specdb::CMs 787925 Specdb::CMs 787926 Specdb::MsMs 45375 Specdb::MsMs 45376 Specdb::MsMs 45377 Specdb::MsMs 171813 Specdb::MsMs 171814 Specdb::MsMs 171815 Specdb::MsMs 2822792 Specdb::MsMs 2822793 Specdb::MsMs 2822794 Specdb::MsMs 2860237 Specdb::MsMs 2860238 Specdb::MsMs 2860239 HMDB30887 #<Reference:0x000055ce321a7510> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442